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(4aS,4bR,7aS,8R)-6-(4-bromophenyl)-8-(2,2-dimethylpropanoyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione

View entire compound with spectra: 1 NMR

(4aS,4bR,7aS,8R)-6-(4-bromophenyl)-8-(2,2-dimethylpropanoyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
SpectraBase Compound ID GoNshPRWDSr
InChI InChI=1S/C20H20BrN3O3/c1-20(2,3)17(25)16-15-14(13-5-4-10-22-24(13)16)18(26)23(19(15)27)12-8-6-11(21)7-9-12/h4-10,13-16H,1-3H3
InChIKey HOZLIFOBQUNCMT-UHFFFAOYSA-N
Mol Weight 430.3 g/mol
Molecular Formula C20H20BrN3O3
Exact Mass 429.068805 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Jdr9usD8xkI
Name (4aS,4bR,7aS,8R)-6-(4-bromophenyl)-8-(2,2-dimethylpropanoyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C20H20BrN3O3/c1-20(2,3)17(25)16-15-14(13-5-4-10-22-24(13)16)18(26)23(19(15)27)12-8-6-11(21)7-9-12/h4-10,13-16H,1-3H3
InChIKey HOZLIFOBQUNCMT-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_6463
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D14880; Labnumber: NNA05-353-1; SBI_ID: SBI-006466
Temperature 306 °C